Geometry & MOs

Info

ID:	438666
PubChem CID:	135228416
Reduced:	N2O5C31H54 (1)
Stoich.:	A2B5C31D54 (1)
Weight, g/mol:	240.074621
ΔH_f, kcal/mol:	-282.11
Dipole, Da:	3.31
IP(EA), eV:	-8.91(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopyrrolidin-1-yl)ethyl (Z)-4-nitroso-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(CC(C)(C)C)C(C)(C(C)CC(C(=O)OCCOCCOC1=CC=CC=C1)C(C)(C)C)N

DOS

IR

Vibrations